Lupeol

CAS

545-47-1

Catalog Number

ACM545471

Category

Steroidal Compounds

Molecular Weight

426.7

Molecular Formula

C30H50O

MSDS COA Spec Sheet

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Specification

Synonyms

Fagarsterol; Lupenol; B-VISCOL; Cautchicol; monogynolb; Lupeol; MONOGYNOL; Clerodol;

IUPAC Name

(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

InChI

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29?,30+/m0/s1

InChI Key

MQYXUWHLBZFQQO-JGGBMTAGSA-N

Boiling Point

488.1ºC at 760 mmHg

Melting Point

215-216ºC

Flash Point

216.9ºC

Density

0.977 g/cm³

Appearance

White powder

Exact Mass

426.38600

WGK Germany

What is the PubChem CID of Lupeol?

The PubChem CID of Lupeol is 259846.

What is the molecular formula of Lupeol?

The molecular formula of Lupeol is C30H50O.

What is the molecular weight of Lupeol?

The molecular weight of Lupeol is 426.7 g/mol.

What is the IUPAC Name of Lupeol?

The IUPAC Name of Lupeol is (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol.

What is the InChI of Lupeol?

The InChI of Lupeol is InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1.

What is the Canonical SMILES of Lupeol?

The Canonical SMILES of Lupeol is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C.

What is the CAS number of Lupeol?

The CAS number of Lupeol is 545-47-1.

What is the European Community (EC) number of Lupeol?

The European Community (EC) number of Lupeol is 208-889-9.

What is the UNII of Lupeol?

The UNII of Lupeol is O268W13H3O.

Does Lupeol have any synonyms?

Yes, Lupeol has synonyms such as Fagarasterol, Clerodol, and Monogynol B.